#!/usr/bin/env python

import os
import sys

sys.path.append(os.path.join(os.path.dirname(__file__), '..'))
from runtest_dalton import Filter, TestRun

test = TestRun(__file__, sys.argv)

f = Filter()
f.add(from_string = 'Final geometry (au)',
      num_lines = 6,
      abs_tolerance = 1.0e-10)
f.add(from_string = 'Final geometry (bohr)',
      num_lines = 11,
      abs_tolerance = 1.0e-3)

test.run(['geoopt_freeze.dal'], ['geoopt_freeze.mol'], f={'out': f})

sys.exit(test.return_code)
